- InChI
- InChI=1S/C21H28F5NO3/c1-3-4-5-6-7-8-9-10-11-12-30-14(28)13-27(2)21(29)15-16(22)18(24)20(26)19(25)17(15)23/h3-13H2,1-2H3
- InChI Key
- ZYFYDSRFTXTMBN-UHFFFAOYSA-N
- Formula
- C21H28F5NO3
- SMILES
-
CCCCCCCCCCCOC(=O)CN(C)C(=O)c1c
(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 437.44
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -1035.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1567.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.79 | kJ/mol | Joback Calculated Property |
| log10WS | -7.16 | Crippen Calculated Property | |
| logPoct/wat | 5.528 | Crippen Calculated Property | |
| McVol | 310.830 | ml/mol | McGowan Calculated Property |
| Pc | 1043.27 | kPa | Joback Calculated Property |
| Inp | 2462.00 | NIST | |
| Tboil | 870.41 | K | Joback Calculated Property |
| Tc | 1065.65 | K | Joback Calculated Property |
| Tfus | 572.96 | K | Joback Calculated Property |
| Vc | 1.242 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [984.04; 1060.68] | J/mol×K | [870.41; 1065.65] | 
|
| Cp,gas | 984.04 | J/mol×K | 870.41 | Joback Calculated Property |
| Cp,gas | 999.38 | J/mol×K | 902.95 | Joback Calculated Property |
| Cp,gas | 1013.66 | J/mol×K | 935.49 | Joback Calculated Property |
| Cp,gas | 1026.91 | J/mol×K | 968.03 | Joback Calculated Property |
| Cp,gas | 1039.14 | J/mol×K | 1000.57 | Joback Calculated Property |
| Cp,gas | 1050.39 | J/mol×K | 1033.11 | Joback Calculated Property |
| Cp,gas | 1060.68 | J/mol×K | 1065.65 | Joback Calculated Property |
Similar Compounds
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Sources
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